3,3-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide

C11H19N3O2 — CID 91917574

IUPAC3,3-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESCc1nc(CCNC(=O)CC(C)(C)C)no1
InChIInChI=1S/C11H19N3O2/c1-8-13-9(14-16-8)5-6-12-10(15)7-11(2,3)4/h5-7H2,1-4H3,(H,12,15)
InChIKeyFUYQYOPBCXEOHR-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.47
Rot. Bonds4

About 3,3-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide

3,3-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide (PubChem CID 91917574) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
PubChem CID91917574
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3,3-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESCc1nc(CCNC(=O)CC(C)(C)C)no1
InChIInChI=1S/C11H19N3O2/c1-8-13-9(14-16-8)5-6-12-10(15)7-11(2,3)4/h5-7H2,1-4H3,(H,12,15)
InChIKeyFUYQYOPBCXEOHR-UHFFFAOYSA-N
XLogP1.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide (CID 91917574) is 3,3-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide is Cc1nc(CCNC(=O)CC(C)(C)C)no1.
What is the InChIKey of 3,3-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The InChIKey is FUYQYOPBCXEOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8-13-9(14-16-8)5-6-12-10(15)7-11(2,3)4/h5-7H2,1-4H3,(H,12,15).
What are the key properties of 3,3-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
3,3-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide has a molecular weight of 225.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 91917574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).